1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid

C12H15N3O3 — CID 136958830

IUPAC1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(c2cc(=O)[nH]c(C3CC3)n2)C1
InChIInChI=1S/C12H15N3O3/c16-10-5-9(13-11(14-10)7-1-2-7)15-4-3-8(6-15)12(17)18/h5,7-8H,1-4,6H2,(H,17,18)(H,13,14,16)
InChIKeyTWOPJBYEAHZTCU-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.56
Rot. Bonds3

About 1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid

1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid (PubChem CID 136958830) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid
PubChem CID136958830
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(c2cc(=O)[nH]c(C3CC3)n2)C1
InChIInChI=1S/C12H15N3O3/c16-10-5-9(13-11(14-10)7-1-2-7)15-4-3-8(6-15)12(17)18/h5,7-8H,1-4,6H2,(H,17,18)(H,13,14,16)
InChIKeyTWOPJBYEAHZTCU-UHFFFAOYSA-N
XLogP0.56
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid (CID 136958830) is 1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid is O=C(O)C1CCN(c2cc(=O)[nH]c(C3CC3)n2)C1.
What is the InChIKey of 1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is TWOPJBYEAHZTCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c16-10-5-9(13-11(14-10)7-1-2-7)15-4-3-8(6-15)12(17)18/h5,7-8H,1-4,6H2,(H,17,18)(H,13,14,16).
What are the key properties of 1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid?
1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 249.27 g/mol, XLogP of 0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 136958830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).